528 citations · 695 across the 13 of their papers we have counts for
13 papers
An accurate DFT-1/2 approach for shallow defect states: Efficient calculation of donor binding energies in silicon
Joshua Claes, Bart Partoens, Dirk Lamoen +2
Accurate prediction of shallow-donor electron binding energies is critical for device modeling, dopant activation, and donor-based quantum technologies. Traditional beyond-DFT appr…
Tight-binding model of Pt-based jacutingaites as combination of the honeycomb and kagome lattices
G. Santos-Castro, L. K. Teles, I. Guilhon Mitoso +1
We introduce a refined tight-binding (TB) model for Pt-based jacutingaite materials PtX, ( = Zn, Cd, Hg; X = S, Se, Te), offering a detailed representation of the l…
Ab initio modeling of superconducting alloys
Pedro N. Ferreira, Roman Lucrezi, Ivan Guilhon +4
Designing new, technologically relevant superconductors has long been at the forefront of solid-state physics and chemistry research. However, developing efficient approaches for m…
Heisenberg's uncertainty principle in the PTOLEMY project: a theory update
PTOLEMY Collaboration, A. Apponi, M. G. Betti +58
We discuss the consequences of the quantum uncertainty on the spectrum of the electron emitted by the -processes of a tritium atom bound to a graphene sheet. We analyze quantita…
Efficient Calculation of Excitonic Effects in Solids Including Approximated Quasiparticle Energies
Filipe Matusalem, Marcelo Marques, Ivan Guilhon +1
In this work we present a new procedure to compute optical spectra including excitonic effects and approximated quasiparticle corrections with reduced computational effort. The exc…
Quantization of spin Hall conductivity in two-dimensional topological insulators versus symmetry and spin-orbit interaction
Filipe Matusalem, Lars Matthes, Jürgen Furthmüller +3
The third-rank tensor of the static spin Hall conductivity is investigated for two-dimensional (2D) topological insulators by electronic structure calculations. Its seeming quantiz…